SCHEMBL223610

SCHEMBL223610

CN(C)C(=O)CN(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 1/20 0.35
POLB P06746 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDGFRB P09619 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL223611 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL228367 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL228366 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL226928 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL226929 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL224008 0.92 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL224007 0.92 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL4492093 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL4492094 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AL3MBTL1BACE1POLB
SCHEMBL4486135 0.91 ALDH1A1 (0.40) ALDH1A1KMT2APOLBNPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 ALDH1A1 106/4885KMT2A 4475/4885L3MBTL1 1653/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ALDH1A1 3469/4885KMT2A 2965/4885L3MBTL1 4374/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ALDH1A1 3469/4885KMT2A 2965/4885L3MBTL1 4374/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ALDH1A1 106/4885KMT2A 4475/4885L3MBTL1 1653/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ALDH1A1 106/4885KMT2A 4475/4885L3MBTL1 1653/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ALDH1A1 2738/4885KMT2A 3404/4885L3MBTL1 4582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.